N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H24FN7O3 — CID 137449752

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)cnc2OCCOC)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H24FN7O3/c1-11-6-15(20(23-9-11)31-5-4-30-3)25-16-8-17(22-2)28-18(27-16)12(10-24-28)19(29)26-14-7-13(14)21/h6,8-10,13-14,22H,4-5,7H2,1-3H3,(H,25,27)(H,26,29)/t13-,14+/m1/s1
InChIKeyNTDMURHOICHGCW-KGLIPLIRSA-N
MW429.46 g/mol
LogP2.08
Rot. Bonds9

About N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449752) has the molecular formula C20H24FN7O3 and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449752
Molecular FormulaC20H24FN7O3
Molecular Weight429.46 g/mol
Exact Mass429.19
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)cnc2OCCOC)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H24FN7O3/c1-11-6-15(20(23-9-11)31-5-4-30-3)25-16-8-17(22-2)28-18(27-16)12(10-24-28)19(29)26-14-7-13(14)21/h6,8-10,13-14,22H,4-5,7H2,1-3H3,(H,25,27)(H,26,29)/t13-,14+/m1/s1
InChIKeyNTDMURHOICHGCW-KGLIPLIRSA-N
XLogP2.08
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(7S)-10-fluorospiro[5,14-dioxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one
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US10774086, Example 41
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(16R)-10-fluoro-16-methyl-14-oxa-2,12,17,21,22,25-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaen-18-one
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449752) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(C)cnc2OCCOC)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NTDMURHOICHGCW-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H24FN7O3/c1-11-6-15(20(23-9-11)31-5-4-30-3)25-16-8-17(22-2)28-18(27-16)12(10-24-28)19(29)26-14-7-13(14)21/h6,8-10,13-14,22H,4-5,7H2,1-3H3,(H,25,27)(H,26,29)/t13-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 2.08, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-methoxyethoxy)-5-methyl-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).