N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21N9O2 — CID 146383408

IUPACN-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn3cnnc23)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12
InChIInChI=1S/C19H21N9O2/c1-20-16-8-15(23-13-4-3-7-27-10-21-26-18(13)27)25-17-11(9-22-28(16)17)19(29)24-12-5-6-14(12)30-2/h3-4,7-10,12,14,20H,5-6H2,1-2H3,(H,23,25)(H,24,29)/t12-,14-/m1/s1
InChIKeySVOXYCVKIWOHEP-TZMCWYRMSA-N
MW407.44 g/mol
LogP1.46
Rot. Bonds6

About N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383408) has the molecular formula C19H21N9O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146383408
Molecular FormulaC19H21N9O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC NameN-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn3cnnc23)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12
InChIInChI=1S/C19H21N9O2/c1-20-16-8-15(23-13-4-3-7-27-10-21-26-18(13)27)25-17-11(9-22-28(16)17)19(29)24-12-5-6-14(12)30-2/h3-4,7-10,12,14,20H,5-6H2,1-2H3,(H,23,25)(H,24,29)/t12-,14-/m1/s1
InChIKeySVOXYCVKIWOHEP-TZMCWYRMSA-N
XLogP1.46
TPSA122.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-methoxycyclobutyl]-5-[[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449835
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560354
N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560355
5-[[1-[(1S,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383473
5-[[1-[(1S,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449245
5-[[1-[(1S,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450000
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559137
N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559156
5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449801
7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153294281
N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560381
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449388

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383408) is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn3cnnc23)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.
What is the InChIKey of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SVOXYCVKIWOHEP-TZMCWYRMSA-N. The full InChI is InChI=1S/C19H21N9O2/c1-20-16-8-15(23-13-4-3-7-27-10-21-26-18(13)27)25-17-11(9-22-28(16)17)19(29)24-12-5-6-14(12)30-2/h3-4,7-10,12,14,20H,5-6H2,1-2H3,(H,23,25)(H,24,29)/t12-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).