(2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide

C26H35N7O4 — CID 171431459

IUPAC(2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide
SMILESCOCCOc1nc2nc(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)[nH]c2cc1N(C)C(=O)[C@H](C)N1CCOCC1
InChIInChI=1S/C26H35N7O4/c1-15(33-5-7-36-8-6-33)25(34)32(3)20-12-18-22(29-24(20)37-10-9-35-4)28-23(27-18)21-17-11-16-13-26(16,2)14-19(17)30-31-21/h12,15-16H,5-11,13-14H2,1-4H3,(H,30,31)(H,27,28,29)/t15-,16+,26+/m0/s1
InChIKeyPSVHYVWPJMQACV-SBKBGZGTSA-N
MW509.61 g/mol
LogP2.18
Rot. Bonds8

About (2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide

(2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide (PubChem CID 171431459) has the molecular formula C26H35N7O4 and a molecular weight of 509.61 g/mol. Its IUPAC name is (2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide
PubChem CID171431459
Molecular FormulaC26H35N7O4
Molecular Weight509.61 g/mol
Exact Mass509.28
IUPAC Name(2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide
SMILESCOCCOc1nc2nc(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)[nH]c2cc1N(C)C(=O)[C@H](C)N1CCOCC1
InChIInChI=1S/C26H35N7O4/c1-15(33-5-7-36-8-6-33)25(34)32(3)20-12-18-22(29-24(20)37-10-9-35-4)28-23(27-18)21-17-11-16-13-26(16,2)14-19(17)30-31-21/h12,15-16H,5-11,13-14H2,1-4H3,(H,30,31)(H,27,28,29)/t15-,16+,26+/m0/s1
InChIKeyPSVHYVWPJMQACV-SBKBGZGTSA-N
XLogP2.18
TPSA121.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide (CID 171431459) is (2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide is COCCOc1nc2nc(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)[nH]c2cc1N(C)C(=O)[C@H](C)N1CCOCC1.
What is the InChIKey of (2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide?
The InChIKey is PSVHYVWPJMQACV-SBKBGZGTSA-N. The full InChI is InChI=1S/C26H35N7O4/c1-15(33-5-7-36-8-6-33)25(34)32(3)20-12-18-22(29-24(20)37-10-9-35-4)28-23(27-18)21-17-11-16-13-26(16,2)14-19(17)30-31-21/h12,15-16H,5-11,13-14H2,1-4H3,(H,30,31)(H,27,28,29)/t15-,16+,26+/m0/s1.
What are the key properties of (2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide?
(2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide has a molecular weight of 509.61 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 171431459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).