5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23N7O3 — CID 137449171

IUPAC5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C20H23N7O3/c1-21-17-9-16(24-14-3-2-8-22-20(14)30-11-4-5-11)26-18-12(10-23-27(17)18)19(29)25-13-6-7-15(13)28/h2-3,8-11,13,15,21,28H,4-7H2,1H3,(H,24,26)(H,25,29)/t13-,15-/m0/s1
InChIKeySFRLKAXPANRRFS-ZFWWWQNUSA-N
MW409.45 g/mol
LogP1.70
Rot. Bonds7

About 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449171) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449171
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C20H23N7O3/c1-21-17-9-16(24-14-3-2-8-22-20(14)30-11-4-5-11)26-18-12(10-23-27(17)18)19(29)25-13-6-7-15(13)28/h2-3,8-11,13,15,21,28H,4-7H2,1H3,(H,24,26)(H,25,29)/t13-,15-/m0/s1
InChIKeySFRLKAXPANRRFS-ZFWWWQNUSA-N
XLogP1.70
TPSA125.70 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449171) is 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12.
What is the InChIKey of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SFRLKAXPANRRFS-ZFWWWQNUSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-21-17-9-16(24-14-3-2-8-22-20(14)30-11-4-5-11)26-18-12(10-23-27(17)18)19(29)25-13-6-7-15(13)28/h2-3,8-11,13,15,21,28H,4-7H2,1H3,(H,24,26)(H,25,29)/t13-,15-/m0/s1.
What are the key properties of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.70, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).